KUC

[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone

Created:	2020-05-18
Last modified:	2023-08-16

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1 entries where KUC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	26

2D diagram of KUC

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Chemical Component Summary
Name	[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	(4-fluoranylisoindol-2-yl)-[3-(5-fluoranylisoindol-2-yl)carbonyl-4-oxidanyl-phenyl]methanone
Formula	C₂₄ H₁₄ F₂ N₂ O₃
Molecular Weight	416.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(C(=O)n1cc2c(c1)ccc(c2)F)c(O)ccc(c3)C(n4cc5c(c4)c(ccc5)F)=O
SMILES	CACTVS	3.385	Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n4cc5cccc(F)c5c4
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n4cc5ccc(cc5c4)F)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n4cc5cccc(F)c5c4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n4cc5ccc(cc5c4)F)O
InChI	InChI	1.03	InChI=1S/C24H14F2N2O3/c25-18-6-4-15-10-27(12-17(15)8-18)24(31)19-9-14(5-7-22(19)29)23(30)28-11-16-2-1-3-21(26)20(16)13-28/h1-13,29H
InChIKey	InChI	1.03	NDSVVWMRIUKJHF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168451655

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.